(3,4-dimethoxyphenyl) 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate

Systemtic Name: (3,4-dimethoxyphenyl) 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: (3,4-dimethoxyphenyl) 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 4-nitro-2,6-bis(trifluoromethyl)-1-benzimidazolecarboxylic acid (3,4-dimethoxyphenyl) ester IUPAC Name: (3,4-dimethoxyphenyl) 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 4-nitro-2,6-bis(trifluoromethyl)benzimidazole-1-carboxylic acid (3,4-dimethoxyphenyl) ester Formula: C18H11F6N3O6 MolecularWeight: 479.286859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OC(=O)N2C3=C(C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])N=C2C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)OC(=O)N2C3=C(C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])N=C2C(F)(F)F)OC

InChI

InChI=1S/C18H11F6N3O6/c1-31-12-4-3-9(7-13(12)32-2)33-16(28)26-10-5-8(17(19,20)21)6-11(27(29)30)14(10)25-15(26)18(22,23)24/h3-7H,1-2H3